N-(4-bromophenyl)-4-triphenylen-2-ylaniline

C30H20BrN — CID 58202576

IUPACN-(4-bromophenyl)-4-triphenylen-2-ylaniline
SMILESBrc1ccc(Nc2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C30H20BrN/c31-22-12-16-24(17-13-22)32-23-14-9-20(10-15-23)21-11-18-29-27-7-2-1-5-25(27)26-6-3-4-8-28(26)30(29)19-21/h1-19,32H
InChIKeyQOCURHQJCCHCFF-UHFFFAOYSA-N
MW474.40 g/mol
LogP9.32
Rot. Bonds3

About N-(4-bromophenyl)-4-triphenylen-2-ylaniline

N-(4-bromophenyl)-4-triphenylen-2-ylaniline (PubChem CID 58202576) has the molecular formula C30H20BrN and a molecular weight of 474.40 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-triphenylen-2-ylaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-triphenylen-2-ylaniline
PubChem CID58202576
Molecular FormulaC30H20BrN
Molecular Weight474.40 g/mol
Exact Mass473.08
IUPAC NameN-(4-bromophenyl)-4-triphenylen-2-ylaniline
SMILESBrc1ccc(Nc2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C30H20BrN/c31-22-12-16-24(17-13-22)32-23-14-9-20(10-15-23)21-11-18-29-27-7-2-1-5-25(27)26-6-3-4-8-28(26)30(29)19-21/h1-19,32H
InChIKeyQOCURHQJCCHCFF-UHFFFAOYSA-N
XLogP9.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.40
LogP ≤ 59.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 156573110
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
3-(4-bromophenyl)phenanthrene
CID 58038107
1-bromo-4-phenylbenzene;methane;4-phenylaniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 157224558
N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline
CID 160982054
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
10-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;N-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-4-phenylaniline;4-phenylaniline
CID 157289320
2-(4-bromophenyl)-9,10-diphenylanthracene;4-carbazol-9-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(9,10-diphenylanthracen-2-yl)-N-phenylaniline;methane
CID 159608625
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(4-methylphenyl)aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(7-methyltriphenylen-2-yl)phenyl]aniline
CID 159776834
3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole
CID 89492367

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-triphenylen-2-ylaniline?
The IUPAC name of N-(4-bromophenyl)-4-triphenylen-2-ylaniline (CID 58202576) is N-(4-bromophenyl)-4-triphenylen-2-ylaniline.
What is the SMILES notation for N-(4-bromophenyl)-4-triphenylen-2-ylaniline?
The canonical SMILES for N-(4-bromophenyl)-4-triphenylen-2-ylaniline is Brc1ccc(Nc2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-triphenylen-2-ylaniline?
The InChIKey is QOCURHQJCCHCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrN/c31-22-12-16-24(17-13-22)32-23-14-9-20(10-15-23)21-11-18-29-27-7-2-1-5-25(27)26-6-3-4-8-28(26)30(29)19-21/h1-19,32H.
What are the key properties of N-(4-bromophenyl)-4-triphenylen-2-ylaniline?
N-(4-bromophenyl)-4-triphenylen-2-ylaniline has a molecular weight of 474.40 g/mol, XLogP of 9.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-triphenylen-2-ylaniline is sourced from PubChem (CID 58202576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).